4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide

C15H22ClN3O — CID 103353699

IUPAC4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide
SMILESCCC1CCN(c2ccc(C(N)=O)c(Cl)c2)C(CN)C1
InChIInChI=1S/C15H22ClN3O/c1-2-10-5-6-19(12(7-10)9-17)11-3-4-13(15(18)20)14(16)8-11/h3-4,8,10,12H,2,5-7,9,17H2,1H3,(H2,18,20)
InChIKeyIBJCTUBDMZMMCD-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.39
Rot. Bonds4

About 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide

4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide (PubChem CID 103353699) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide
PubChem CID103353699
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide
SMILESCCC1CCN(c2ccc(C(N)=O)c(Cl)c2)C(CN)C1
InChIInChI=1S/C15H22ClN3O/c1-2-10-5-6-19(12(7-10)9-17)11-3-4-13(15(18)20)14(16)8-11/h3-4,8,10,12H,2,5-7,9,17H2,1H3,(H2,18,20)
InChIKeyIBJCTUBDMZMMCD-UHFFFAOYSA-N
XLogP2.39
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide?
The IUPAC name of 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide (CID 103353699) is 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide.
What is the SMILES notation for 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide?
The canonical SMILES for 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide is CCC1CCN(c2ccc(C(N)=O)c(Cl)c2)C(CN)C1.
What is the InChIKey of 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide?
The InChIKey is IBJCTUBDMZMMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-10-5-6-19(12(7-10)9-17)11-3-4-13(15(18)20)14(16)8-11/h3-4,8,10,12H,2,5-7,9,17H2,1H3,(H2,18,20).
What are the key properties of 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide?
4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide has a molecular weight of 295.81 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide is sourced from PubChem (CID 103353699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).